N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine

C16H28N4 — CID 107380858

IUPACN-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCCC2CC)cn1
InChIInChI=1S/C16H28N4/c1-3-9-17-11-14-12-19-16(13-18-14)20-10-7-5-6-8-15(20)4-2/h12-13,15,17H,3-11H2,1-2H3
InChIKeyBBJDYJLSUJLQGW-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.14
Rot. Bonds6

About N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107380858) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107380858
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCCC2CC)cn1
InChIInChI=1S/C16H28N4/c1-3-9-17-11-14-12-19-16(13-18-14)20-10-7-5-6-8-15(20)4-2/h12-13,15,17H,3-11H2,1-2H3
InChIKeyBBJDYJLSUJLQGW-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379083
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methanamine
CID 104688923
1-[5-(chloromethyl)pyrazin-2-yl]-2-ethylazepane
CID 107373567
N-[[5-(2-ethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107378795
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 104692153
N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
[5-(2-propylpiperidin-1-yl)pyrazin-2-yl]methanol
CID 107372941
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 107380858) is N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCCCCC2CC)cn1.
What is the InChIKey of N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is BBJDYJLSUJLQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-9-17-11-14-12-19-16(13-18-14)20-10-7-5-6-8-15(20)4-2/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107380858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).